CID 3007933

Chembl416502

Structural Information

Molecular Formula
C18H14N4O
SMILES
C1=CC=C2C(=C1)NC(=N2)C3=CC=C(O3)C4=CC=C(C=C4)C(=N)N
InChI
InChI=1S/C18H14N4O/c19-17(20)12-7-5-11(6-8-12)15-9-10-16(23-15)18-21-13-3-1-2-4-14(13)22-18/h1-10H,(H3,19,20)(H,21,22)
InChIKey
PALVFPPSTFTLRP-UHFFFAOYSA-N
Compound name
4-[5-(1H-benzimidazol-2-yl)furan-2-yl]benzenecarboximidamide
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

2
References

14
Patents

302.11676 Da
Monoisotopic Mass

2.9
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 303.12404 167.2
[M+Na]+ 325.10598 176.1
[M-H]- 301.10948 175.9
[M+NH4]+ 320.15058 181.1
[M+K]+ 341.07992 170.4
[M+H-H2O]+ 285.11402 158.7
[M+HCOO]- 347.11496 190.2
[M+CH3COO]- 361.13061 178.8
[M+Na-2H]- 323.09143 171.0
[M]+ 302.11621 166.2
[M]- 302.11731 166.2
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe